(3R,4S,5S,6R,7R,9R,11R,12S,13S,14R)-4-[(2R,3S,4S,6S)-3,6-dihydroxy-4-methoxy-4-methyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

C36H65NO14 — CID 124837880

About (3R,4S,5S,6R,7R,9R,11R,12S,13S,14R)-4-[(2R,3S,4S,6S)-3,6-dihydroxy-4-methoxy-4-methyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

(3R,4S,5S,6R,7R,9R,11R,12S,13S,14R)-4-[(2R,3S,4S,6S)-3,6-dihydroxy-4-methoxy-4-methyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione (PubChem CID 124837880) has the molecular formula C36H65NO14 and a molecular weight of 735.91 g/mol. Its IUPAC name is (3R,4S,5S,6R,7R,9R,11R,12S,13S,14R)-4-[(2R,3S,4S,6S)-3,6-dihydroxy-4-methoxy-4-methyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione.

Molecular Properties

• Compound Name: (3R,4S,5S,6R,7R,9R,11R,12S,13S,14R)-4-[(2R,3S,4S,6S)-3,6-dihydroxy-4-methoxy-4-methyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
• PubChem CID: 124837880
• Molecular Formula: C36H65NO14
• Molecular Weight: 735.91 g/mol
• Exact Mass: 735.44
• IUPAC Name: (3R,4S,5S,6R,7R,9R,11R,12S,13S,14R)-4-[(2R,3S,4S,6S)-3,6-dihydroxy-4-methoxy-4-methyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
• SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](O)C[C@](C)(OC)[C@@H]2O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H](O)[C@]1(C)O
• InChI: InChI=1S/C36H65NO14/c1-13-23-36(9,45)28(41)19(4)25(39)17(2)15-34(7,44)30(51-32-26(40)22(37(10)11)14-18(3)47-32)20(5)27(21(6)31(43)48-23)50-33-29(42)35(8,46-12)16-24(38)49-33/h17-24,26-30,32-33,38,40-42,44-45H,13-16H2,1-12H3/t17-,18-,19+,20+,21-,22+,23-,24+,26-,27+,28+,29-,30-,32+,33+,34-,35+,36-/m1/s1
• InChIKey: QORFVLSDZGITGP-SCGDXDQKSA-N
• XLogP: 0.72
• TPSA: 214.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	735.91
LogP ≤ 5	0.72
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6R,7R,9R,11R,12S,13S,14R)-4-[(2R,3S,4S,6S)-3,6-dihydroxy-4-methoxy-4-methyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione?

The IUPAC name of (3R,4S,5S,6R,7R,9R,11R,12S,13S,14R)-4-[(2R,3S,4S,6S)-3,6-dihydroxy-4-methoxy-4-methyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione (CID 124837880) is (3R,4S,5S,6R,7R,9R,11R,12S,13S,14R)-4-[(2R,3S,4S,6S)-3,6-dihydroxy-4-methoxy-4-methyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione.

What is the SMILES notation for (3R,4S,5S,6R,7R,9R,11R,12S,13S,14R)-4-[(2R,3S,4S,6S)-3,6-dihydroxy-4-methoxy-4-methyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione?

The canonical SMILES for (3R,4S,5S,6R,7R,9R,11R,12S,13S,14R)-4-[(2R,3S,4S,6S)-3,6-dihydroxy-4-methoxy-4-methyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione is CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](O)C[C@](C)(OC)[C@@H]2O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H](O)[C@]1(C)O.

What is the InChIKey of (3R,4S,5S,6R,7R,9R,11R,12S,13S,14R)-4-[(2R,3S,4S,6S)-3,6-dihydroxy-4-methoxy-4-methyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione?

The InChIKey is QORFVLSDZGITGP-SCGDXDQKSA-N. The full InChI is InChI=1S/C36H65NO14/c1-13-23-36(9,45)28(41)19(4)25(39)17(2)15-34(7,44)30(51-32-26(40)22(37(10)11)14-18(3)47-32)20(5)27(21(6)31(43)48-23)50-33-29(42)35(8,46-12)16-24(38)49-33/h17-24,26-30,32-33,38,40-42,44-45H,13-16H2,1-12H3/t17-,18-,19+,20+,21-,22+,23-,24+,26-,27+,28+,29-,30-,32+,33+,34-,35+,36-/m1/s1.

What are the key properties of (3R,4S,5S,6R,7R,9R,11R,12S,13S,14R)-4-[(2R,3S,4S,6S)-3,6-dihydroxy-4-methoxy-4-methyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione?

(3R,4S,5S,6R,7R,9R,11R,12S,13S,14R)-4-[(2R,3S,4S,6S)-3,6-dihydroxy-4-methoxy-4-methyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione has a molecular weight of 735.91 g/mol, XLogP of 0.72, 7 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S,5S,6R,7R,9R,11R,12S,13S,14R)-4-[(2R,3S,4S,6S)-3,6-dihydroxy-4-methoxy-4-methyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione is sourced from PubChem (CID 124837880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).